Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09a5e6ab7602e3d2a4990d7bb458e1d6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.890,
"b": 73.716,
"c": 57.405,
"alpha": 90.000,
"beta": 101.796,
"gamma": 90.000
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,2.50],
"number_observations_unique": 12566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.69
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 1264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.872
},
{
"type": "R(meas)",
"value": 0.960
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 2
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
}
]
}